Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1AF8

Summary
Name:7-{(4S)-3-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl}heptanoic acid
Formula:C19 H32 N2 O5
Formal charge:0
Formula weight:368.468 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-{(4S)-3-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl}heptanoic acid
OpenEye OEToolkits2.0.77-[(4~{S})-3-[(3~{R})-3-cyclohexyl-3-oxidanyl-propyl]-2,5-bis(oxidanylidene)imidazolidin-4-yl]heptanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(CCN1C(=O)NC(=O)C1CCCCCCC(=O)O)C1CCCCC1
InChIInChI1.06InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)/t15-,16+/m0/s1
InChIKeyInChI1.06ZIDQIOZJEJFMOH-JKSUJKDBSA-N
SMILES_CANONICALCACTVS3.385O[C@H](CCN1[C@@H](CCCCCCC(O)=O)C(=O)NC1=O)C2CCCCC2
SMILESCACTVS3.385O[CH](CCN1[CH](CCCCCCC(O)=O)C(=O)NC1=O)C2CCCCC2
SMILES_CANONICALOpenEye OEToolkits2.0.7C1CCC(CC1)[C@@H](CCN2[C@H](C(=O)NC2=O)CCCCCCC(=O)O)O
SMILESOpenEye OEToolkits2.0.7C1CCC(CC1)C(CCN2C(C(=O)NC2=O)CCCCCCC(=O)O)O

246704

PDB entries from 2025-12-24

PDB statisticsPDBj update infoContact PDBjnumon